Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28308085 | 0.83 | ACHE (0.39) | CYP3A4CASP1RECQLSIGMAR1ALDH1A1 | |
| SCHEMBL28874617 | 0.79 | CYP3A4 (0.46) | CYP3A4CASP1RECQLALDH1A1LMNA | |
| SCHEMBL9817314 | 0.78 | CYP3A4 (0.44) | CYP3A4CASP1RECQLALDH1A1LMNA | |
| SCHEMBL2095103 | 0.78 | HSD17B1 (0.46) | CYP3A4RECQLSIGMAR1ALDH1A1LMNA | |
| SCHEMBL8883643 | 0.77 | ALOX15 (0.41) | CYP3A4CASP1RECQLALDH1A1LMNA | |
| SCHEMBL11503532 | 0.76 | CYP3A4 (0.52) | CYP3A4CASP1RECQLSIGMAR1ALDH1A1 | |
| SCHEMBL374790 | 0.76 | ALDH1A1 (0.54) | CYP3A4CASP1RECQLSIGMAR1ALDH1A1 | |
| SCHEMBL29647628 | 0.76 | ALDH1A1 (0.54) | CYP3A4CASP1RECQLSIGMAR1ALDH1A1 | |
| SCHEMBL2089356 | 0.76 | ACHE (0.40) | CYP3A4 | |
| SCHEMBL2096476 | 0.76 | APP (0.43) | SIGMAR1ALDH1A1TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6410529-B1 | DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-06-25 | — | — | US | disclosed |
| EP-1003737-A1 | PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2000-05-31 | — | — | EP | disclosed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |
| WO-1999009024-A1 | PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1999-02-25 | — | — | WO | disclosed |